Geometry & MOs

Info

ID:

160097

PubChem CID:

57304716

Reduced:

FN2O10C44H69 (1)

Stoich.:

AB2C10D44E69 (1)

Weight, g/mol:

528.052478

ΔHf, kcal/mol:

-393.59

Dipole, Da:

9.46

IP(EA), eV:

 -8.87(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(3,5-dichloro-N-methoxycarbonylanilino)-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCC(=O)C(C=C(C(C(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC1C(=CC4CCC(C(C4)OC)N)C)O)C)OC)OC)C)F)C)CC=C

DOS

IR

Vibrations